0 mol 48 unq 0 iso 0 dist 7.78899 6.47086 7.95815 10.1404 8.29196 6.29782 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 8.79235 9.01319 9.31516 14.8207 9.32314 17.6735 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.90923 6.30184 6.37273 8.41751 8.19932 5.37935 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.14248 13.4778 9.3711 5.50078 5.45099 10.1475 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.14248 13.4778 9.3711 11.6055 8.44765 4.4828 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 6.14248 13.4778 9.3711 13.5729 9.06643 7.00476 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 6.97936 15.1961 9.3711 11.6853 5.45099 10.1475 numMergedOcc 0
7 mol 76 unq 4 iso 0 dist 6.97936 15.1961 9.3711 15.0489 8.44765 4.4828 numMergedOcc 0
8 mol 76 unq 5 iso 0 dist 6.97936 15.1961 9.3711 14.2393 9.06643 7.00476 numMergedOcc 0
9 mol 76 unq 6 iso 0 dist 5.00466 8.38148 9.3711 4.94673 5.45099 10.1475 numMergedOcc 0
10 mol 76 unq 7 iso 0 dist 5.00466 8.38148 9.3711 5.78236 8.44765 4.4828 numMergedOcc 0
11 mol 76 unq 8 iso 0 dist 5.00466 8.38148 9.3711 4.73151 9.06643 7.00476 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 6.12663 13.7544 8.89939 12.0024 9.54696 5.92952 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 6.12663 13.7544 8.89939 5.78777 4.62636 9.79253 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.33185 10.2312 9.63281 11.193 9.87354 5.21959 numMergedOcc 0
15 mol 139 unq 0 iso 0 dist 6.79625 10.5769 9.07404 5.4082 8.83962 10.9371 numMergedOcc 0
16 mol 139 unq 1 iso 0 dist 7.20542 6.5333 9.07404 7.77973 8.83962 10.9371 numMergedOcc 0
17 mol 157 unq 0 iso 0 dist 8.8201 7.14195 9.35772 5.01559 7.91458 7.72329 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 5.08603 8.15721 9.19818 5.27339 8.23162 4.51504 numMergedOcc 0
19 mol 192 unq 1 iso 0 dist 5.77035 7.66978 9.19818 5.54406 8.23162 4.51504 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 8.89981 11.4982 5.79617 13.9172 8.7434 3.74444 numMergedOcc 0
21 mol 217 unq 0 iso 0 dist 6.58871 5.07696 8.46235 9.16386 6.19602 8.92326 numMergedOcc 0
22 mol 217 unq 1 iso 0 dist 6.58871 10.8948 5.27487 9.16386 6.19602 4.90493 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 4.93584 10.9544 9.0208 6.91113 9.83672 16.4876 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 4.93584 5.98829 9.30393 6.91113 9.83672 11.7948 numMergedOcc 0
25 mol 266 unq 2 iso 0 dist 5.60245 7.07103 9.0208 11.2811 9.83672 16.4876 numMergedOcc 0
26 mol 266 unq 3 iso 0 dist 5.60245 5.11334 9.30393 11.2811 9.83672 11.7948 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 7.03656 5.72978 8.16952 5.67885 8.62266 7.53916 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 7.03656 12.744 9.67649 5.67885 8.62266 12.077 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 6.00439 7.59308 9.33418 5.17343 9.06947 8.24765 numMergedOcc 0
30 mol 286 unq 0 iso 0 dist 6.64391 5.69037 8.09566 12.1288 8.75926 10.9935 numMergedOcc 0
31 mol 286 unq 1 iso 0 dist 6.64391 6.54635 5.6343 12.1288 8.75926 5.85675 numMergedOcc 0
